Geometry & MOs

Info

ID:	225218
PubChem CID:	85747969
Reduced:	O2C13H24 (1)
Stoich.:	A2B13C24 (1)
Weight, g/mol:	258.16198
ΔH_f, kcal/mol:	-134.94
Dipole, Da:	2.11
IP(EA), eV:	-9.65(2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butyl-2-ethynylphenoxy)oxane

Drug info:

PubChemData

Smile

CCC1(COC2(CCCCC2C)OC1)C

DOS

IR

Vibrations